2-(furan-2-yl)-5-methyl-N-(3-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide;dihydrochloride

C15H21Cl2N3O2S — CID 120555681

IUPAC2-(furan-2-yl)-5-methyl-N-(3-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide;dihydrochloride
SMILESCc1sc(-c2ccco2)nc1C(=O)NC1CCNCC1C.Cl.Cl
InChIInChI=1S/C15H19N3O2S.2ClH/c1-9-8-16-6-5-11(9)17-14(19)13-10(2)21-15(18-13)12-4-3-7-20-12;;/h3-4,7,9,11,16H,5-6,8H2,1-2H3,(H,17,19);2*1H
InChIKeyAUUBMQITJPNRAV-UHFFFAOYSA-N
MW378.33 g/mol
LogP3.28
Rot. Bonds3

About 2-(furan-2-yl)-5-methyl-N-(3-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide;dihydrochloride

2-(furan-2-yl)-5-methyl-N-(3-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide;dihydrochloride (PubChem CID 120555681) has the molecular formula C15H21Cl2N3O2S and a molecular weight of 378.33 g/mol. Its IUPAC name is 2-(furan-2-yl)-5-methyl-N-(3-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide;dihydrochloride.

Molecular Properties

Compound Name2-(furan-2-yl)-5-methyl-N-(3-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide;dihydrochloride
PubChem CID120555681
Molecular FormulaC15H21Cl2N3O2S
Molecular Weight378.33 g/mol
Exact Mass377.07
IUPAC Name2-(furan-2-yl)-5-methyl-N-(3-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide;dihydrochloride
SMILESCc1sc(-c2ccco2)nc1C(=O)NC1CCNCC1C.Cl.Cl
InChIInChI=1S/C15H19N3O2S.2ClH/c1-9-8-16-6-5-11(9)17-14(19)13-10(2)21-15(18-13)12-4-3-7-20-12;;/h3-4,7,9,11,16H,5-6,8H2,1-2H3,(H,17,19);2*1H
InChIKeyAUUBMQITJPNRAV-UHFFFAOYSA-N
XLogP3.28
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.33
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(furan-2-yl)-5-methyl-N-[2-(trifluoromethyl)cyclohexyl]-1,3-thiazole-4-carboxamide
CID 43055913
N-[2-(aminomethyl)cyclohexyl]-2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119610162
2-(furan-2-yl)-4-N-(3-methylpiperidin-4-yl)imidazo[1,5-a]pyrimidine-4,8-dicarboxamide;hydrochloride
CID 120554533
2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carbohydrazide
CID 43244788
2-[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]-N-(3-methylpiperidin-4-yl)acetamide
CID 120553081
2-(furan-2-yl)-5-methyl-N-propyl-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide
CID 119530777
[2-(furan-2-yl)-5-methyl-1,3-thiazol-4-yl]-(3-methylpiperazin-1-yl)methanone;dihydrochloride
CID 119577581
N-(3-methylpiperidin-4-yl)-2,4-diphenyl-1,3-thiazole-5-carboxamide
CID 120557670
[2-(furan-2-yl)-5-methyl-1,3-thiazol-4-yl]-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 103900533
2-(furan-2-yl)-N-(2-methoxyethoxy)-5-methyl-1,3-thiazole-4-carboxamide
CID 79676397
2-(furan-2-yl)-N-(2-hydroxy-4-methylphenyl)-5-methyl-1,3-thiazole-4-carboxamide
CID 134018768
(2,3-dimethylpiperazin-1-yl)-[2-(furan-2-yl)-5-methyl-1,3-thiazol-4-yl]methanone
CID 120569406

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-5-methyl-N-(3-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide;dihydrochloride?
The IUPAC name of 2-(furan-2-yl)-5-methyl-N-(3-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide;dihydrochloride (CID 120555681) is 2-(furan-2-yl)-5-methyl-N-(3-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide;dihydrochloride.
What is the SMILES notation for 2-(furan-2-yl)-5-methyl-N-(3-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide;dihydrochloride?
The canonical SMILES for 2-(furan-2-yl)-5-methyl-N-(3-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide;dihydrochloride is Cc1sc(-c2ccco2)nc1C(=O)NC1CCNCC1C.Cl.Cl.
What is the InChIKey of 2-(furan-2-yl)-5-methyl-N-(3-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide;dihydrochloride?
The InChIKey is AUUBMQITJPNRAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S.2ClH/c1-9-8-16-6-5-11(9)17-14(19)13-10(2)21-15(18-13)12-4-3-7-20-12;;/h3-4,7,9,11,16H,5-6,8H2,1-2H3,(H,17,19);2*1H.
What are the key properties of 2-(furan-2-yl)-5-methyl-N-(3-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide;dihydrochloride?
2-(furan-2-yl)-5-methyl-N-(3-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide;dihydrochloride has a molecular weight of 378.33 g/mol, XLogP of 3.28, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-5-methyl-N-(3-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide;dihydrochloride is sourced from PubChem (CID 120555681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).